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C53H66N7O8O8PSI CAS NO. Mestylethyl) Phosphoramidite] (ACI)
Numero sa Registry sa Cas
104992-55-4
| KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
| Gibug-aton sa molekula | 988.19 | - |
| PKA (gitagna) | 7.87 ± 0.43 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Smile
N # cccop (OC1C (OC (N2C = NC = 3C = CC32) NC CC = C (OC) C = C7) N (C (C) C) C (C) C
Isomeric smile
C (OC [c @@ h] 1 [c @@ h] (OP (c) (c) (c) (c) (c) (c) (cc) N = cn3) (C5 = CC = C (OC) C = C5) (CC = C (CC) C7
Inchi
Inchi = 1s / C53H66N8O8O8PSI / C1-36 (2) 60) 69 (39-64-53-13-3-22-32-42-42-42-42 . 2-17,19-30,34-3-37,44,46-47,51h, 18,32-2,,56,58,61-, 47- 69?
Yawe sa inchi
Ffxhncnnhasxct-rfmfgjhusa-n
1 Uban pang ngalan alang sa kini nga sangkap
Adenosine,N-benzoyl-5 '-O- [BIS (4-methoxypypyl) Phenylmethyl] -2 '-O- [(1,1-Dimethyletyl) DimethylsLyl] -, 3 '- [2-cyanoethyl Bis (1- metletythyl) Phosphoramidite] (9CI)
Magamit ang Spectra
Misa
Mga kabtangan nga magamit
Biyikolohiya
Kimikal
Lipinski
May kalabutan sa istruktura
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Factor sa Bioconcentration | 5.50 x 105 | Ph 1; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 2; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 3; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 4; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 5; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 6; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 7; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 8; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 9; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 10; Tats: 25 ° C | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Lang | 61500 | Ph 1; Tats: 25 ° C | (1) ACD |
| Lang | 1.64 x 106 | Ph 2; Tats: 25 ° C | (1) ACD |
| Lang | 1.00 x 107 | Ph 3; Tats: 25 ° C | (1) ACD |
| Lang | 1.00 x 107 | Ph 4; Tats: 25 ° C | (1) ACD |
| Lang | 1.00 x 107 | Ph 5; Tats: 25 ° C | (1) ACD |
| Lang | 1.00 x 107 | Ph 6; Tats: 25 ° C | (1) ACD |
| Lang | 1.00 x 107 | Ph 7; Tats: 25 ° C | (1) ACD |
| Lang | 1.00 x 107 | Ph 8; Tats: 25 ° C | (1) ACD |
| Lang | 3.20 x 106 | Ph 9; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Lang | 9.24 x 105 | Ph 10; Tats: 25 ° C | (1) ACD |
| troso | 8.81 | Ph 1; Tats: 25 ° C | (1) ACD |
| troso | 10.24 | Ph 2; Tats: 25 ° C | (1) ACD |
| troso | 11.24 | Ph 3; Tats: 25 ° C | (1) ACD |
| troso | 11.73 | Ph 4; Tats: 25 ° C | (1) ACD |
| troso | 11.83 | Ph 5; Tats: 25 ° C | (1) ACD |
| troso | 11.83 | Ph 6; Tats: 25 ° C | (1) ACD |
| troso | 11.75 | Ph 7; Tats: 25 ° C | (1) ACD |
| troso | 11.31 | Ph 8; Tats: 25 ° C | (1) ACD |
| troso | 10.53 | Ph 9; Tats: 25 ° C | (1) ACD |
| troso | 9.99 | Ph 10; Tats: 25 ° C | (1) ACD |
| logP | 11.845 ± 0.715 | Tats: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 1.2 x 10-5 g / l | Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.5 x 10-3 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.1 x 10-4 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 9.9 x 10-6 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.4 x 10-6 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 2.7 x 10-6 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 2.7 x 10-6 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.2 x 10-6 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 8.9 x 10-6 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 6.3 x 10-5 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.2 x 10-4 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.2 x 10-6 g / l | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 1.2 x 10-8 MOL / L | Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.5 x 10-6 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-7 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.0 x 10-8 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.4 x 10-9 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.7 x 10-9 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.7 x 10-9 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.2 x 10-9 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Molar Solubility | 9.0 x 10-9 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 6.4 x 10-8 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 4.2 x 10-7 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.2 x 10-9 MOL / L | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 988.19 | ||
| pka | 7.87 ± 0.43 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
| pka | 3.45 ± 0.70 | Kadaghanan sa sukaranan nga temps: 25 ° C | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Gawasnon nga rotatable nga bugkos | 21 | (1) ACD | |
| H Pagdawat | 15 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H Donor / Pagdawat Sum | 16 | (1) ACD | |
| logP | 11.845 ± 0.715 | Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 988.19 |
| Kabtangan | Bili | Gigikanan sa kondisyon |
| Dapit sa Polar sa Polar | 178 A2 | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Advanced Chemistry Development (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Magamit ang Spectra
1 h nmr
13 C NMR
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